2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid

C18H21NO5 — CID 120821888

IUPAC2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC(CCO)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C18H21NO5/c1-2-15-14(18(22)23)10-16(24-15)17(21)19-11-13(8-9-20)12-6-4-3-5-7-12/h3-7,10,13,20H,2,8-9,11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCLKLSADXMOOJSX-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.44
Rot. Bonds8

About 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120821888) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
PubChem CID120821888
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC(CCO)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C18H21NO5/c1-2-15-14(18(22)23)10-16(24-15)17(21)19-11-13(8-9-20)12-6-4-3-5-7-12/h3-7,10,13,20H,2,8-9,11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCLKLSADXMOOJSX-UHFFFAOYSA-N
XLogP2.44
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-(2-phenylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822077
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid
CID 120820730
5-[(2,2-dimethyl-3-phenylpropyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821950
2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076
5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822081
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822622
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
5-[(4-hydroxy-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685644

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid (CID 120821888) is 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCC(CCO)c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is CLKLSADXMOOJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-2-15-14(18(22)23)10-16(24-15)17(21)19-11-13(8-9-20)12-6-4-3-5-7-12/h3-7,10,13,20H,2,8-9,11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).